SCHEMBL7742834

SCHEMBL7742834

O=C(SC1CCCCC1)C(O)=S

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.34
SMN1; SMN2 Q16637 5/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
MAPK1 P28482 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
PTPN11 Q06124 1/20 0.33
KMT2A Q03164 1/20 0.33
PHGDH O43175 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
ALDH1A1 P00352 3/20 0.30
GAA P10253 1/20 0.30
EPHX1 P07099 5/20 0.30
CYP3A4 P08684 2/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17322712 0.81 CES2 (0.36) SMN1; SMN2NPC1RAB9ACES2CES1
SCHEMBL7742837 0.77 MGLL (0.34) MGLLSMN1; SMN2NPC1RAB9ACES2
SCHEMBL2807856 0.75 MGLL (0.40) MGLLPHGDHALDH1A1GAACYP3A4
SCHEMBL7741300 0.75 MGLL (0.40) MGLLPHGDHALDH1A1GAACYP3A4
SCHEMBL3777071 0.75 CES2 (0.39) SMN1; SMN2NPC1RAB9ACES2CES1
SCHEMBL7742833 0.74 CES2 (0.35) SMN1; SMN2NPC1RAB9ACES2CES1
SCHEMBL592693 0.73 CES2 (0.38) SMN1; SMN2NPC1RAB9ACES2CES1
SCHEMBL7741433 0.73 ALDH1A1 (0.34) SMN1; SMN2NPC1RAB9ACES2CES1
SCHEMBL3075371 0.72 CES2 (0.41) MGLLSMN1; SMN2NPC1RAB9ACES2
SCHEMBL3074321 0.72 MGLL (0.42) MGLLSMN1; SMN2NPC1RAB9AMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6413677-B1 THIOCARBONATE ELECTROLYTE UBE INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed